8-bromo-N,N,6-trimethyl-5-oxo-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide

C12H16BrN3O2 — CID 154671801

IUPAC8-bromo-N,N,6-trimethyl-5-oxo-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide
SMILESCN(C)C(=O)N1CCc2c(c(Br)cn(C)c2=O)C1
InChIInChI=1S/C12H16BrN3O2/c1-14(2)12(18)16-5-4-8-9(6-16)10(13)7-15(3)11(8)17/h7H,4-6H2,1-3H3
InChIKeyIXOZZSIJCULQDO-UHFFFAOYSA-N
MW314.18 g/mol
LogP1.19
Rot. Bonds

About 8-bromo-N,N,6-trimethyl-5-oxo-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide

8-bromo-N,N,6-trimethyl-5-oxo-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide (PubChem CID 154671801) has the molecular formula C12H16BrN3O2 and a molecular weight of 314.18 g/mol. Its IUPAC name is 8-bromo-N,N,6-trimethyl-5-oxo-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name8-bromo-N,N,6-trimethyl-5-oxo-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide
PubChem CID154671801
Molecular FormulaC12H16BrN3O2
Molecular Weight314.18 g/mol
Exact Mass313.04
IUPAC Name8-bromo-N,N,6-trimethyl-5-oxo-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide
SMILESCN(C)C(=O)N1CCc2c(c(Br)cn(C)c2=O)C1
InChIInChI=1S/C12H16BrN3O2/c1-14(2)12(18)16-5-4-8-9(6-16)10(13)7-15(3)11(8)17/h7H,4-6H2,1-3H3
InChIKeyIXOZZSIJCULQDO-UHFFFAOYSA-N
XLogP1.19
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-N,N,6-trimethyl-5-oxo-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide?
The IUPAC name of 8-bromo-N,N,6-trimethyl-5-oxo-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide (CID 154671801) is 8-bromo-N,N,6-trimethyl-5-oxo-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide.
What is the SMILES notation for 8-bromo-N,N,6-trimethyl-5-oxo-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide?
The canonical SMILES for 8-bromo-N,N,6-trimethyl-5-oxo-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide is CN(C)C(=O)N1CCc2c(c(Br)cn(C)c2=O)C1.
What is the InChIKey of 8-bromo-N,N,6-trimethyl-5-oxo-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide?
The InChIKey is IXOZZSIJCULQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O2/c1-14(2)12(18)16-5-4-8-9(6-16)10(13)7-15(3)11(8)17/h7H,4-6H2,1-3H3.
What are the key properties of 8-bromo-N,N,6-trimethyl-5-oxo-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide?
8-bromo-N,N,6-trimethyl-5-oxo-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide has a molecular weight of 314.18 g/mol, XLogP of 1.19, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N,N,6-trimethyl-5-oxo-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 154671801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).